19-cyclohexyl-4'-(morpholin-4-ylmethyl)spiro[8-oxa-12-azatetracyclo[10.7.0.02,7.013,18]nonadeca-1(19),2(7),5,13(18),14,16-hexaene-10,2'-oxolane]-15-carboxylic acid

C32H40N2O5 — CID 70876865

IUPAC19-cyclohexyl-4'-(morpholin-4-ylmethyl)spiro[8-oxa-12-azatetracyclo[10.7.0.02,7.013,18]nonadeca-1(19),2(7),5,13(18),14,16-hexaene-10,2'-oxolane]-15-carboxylic acid
SMILESO=C(O)c1ccc2c(C3CCCCC3)c3n(c2c1)CC1(COC2=C3CCC=C2)CC(CN2CCOCC2)CO1
InChIInChI=1S/C32H40N2O5/c35-31(36)24-10-11-25-27(16-24)34-20-32(17-22(19-39-32)18-33-12-14-37-15-13-33)21-38-28-9-5-4-8-26(28)30(34)29(25)23-6-2-1-3-7-23/h5,9-11,16,22-23H,1-4,6-8,12-15,17-21H2,(H,35,36)
InChIKeyZJWFXEBQOHMTEN-UHFFFAOYSA-N
MW532.68 g/mol
LogP5.59
Rot. Bonds4

About 19-cyclohexyl-4'-(morpholin-4-ylmethyl)spiro[8-oxa-12-azatetracyclo[10.7.0.02,7.013,18]nonadeca-1(19),2(7),5,13(18),14,16-hexaene-10,2'-oxolane]-15-carboxylic acid

19-cyclohexyl-4'-(morpholin-4-ylmethyl)spiro[8-oxa-12-azatetracyclo[10.7.0.02,7.013,18]nonadeca-1(19),2(7),5,13(18),14,16-hexaene-10,2'-oxolane]-15-carboxylic acid (PubChem CID 70876865) has the molecular formula C32H40N2O5 and a molecular weight of 532.68 g/mol. Its IUPAC name is 19-cyclohexyl-4'-(morpholin-4-ylmethyl)spiro[8-oxa-12-azatetracyclo[10.7.0.02,7.013,18]nonadeca-1(19),2(7),5,13(18),14,16-hexaene-10,2'-oxolane]-15-carboxylic acid.

Molecular Properties

Compound Name19-cyclohexyl-4'-(morpholin-4-ylmethyl)spiro[8-oxa-12-azatetracyclo[10.7.0.02,7.013,18]nonadeca-1(19),2(7),5,13(18),14,16-hexaene-10,2'-oxolane]-15-carboxylic acid
PubChem CID70876865
Molecular FormulaC32H40N2O5
Molecular Weight532.68 g/mol
Exact Mass532.29
IUPAC Name19-cyclohexyl-4'-(morpholin-4-ylmethyl)spiro[8-oxa-12-azatetracyclo[10.7.0.02,7.013,18]nonadeca-1(19),2(7),5,13(18),14,16-hexaene-10,2'-oxolane]-15-carboxylic acid
SMILESO=C(O)c1ccc2c(C3CCCCC3)c3n(c2c1)CC1(COC2=C3CCC=C2)CC(CN2CCOCC2)CO1
InChIInChI=1S/C32H40N2O5/c35-31(36)24-10-11-25-27(16-24)34-20-32(17-22(19-39-32)18-33-12-14-37-15-13-33)21-38-28-9-5-4-8-26(28)30(34)29(25)23-6-2-1-3-7-23/h5,9-11,16,22-23H,1-4,6-8,12-15,17-21H2,(H,35,36)
InChIKeyZJWFXEBQOHMTEN-UHFFFAOYSA-N
XLogP5.59
TPSA73.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.68
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 19-cyclohexyl-4'-(morpholin-4-ylmethyl)spiro[8-oxa-12-azatetracyclo[10.7.0.02,7.013,18]nonadeca-1(19),2(7),5,13(18),14,16-hexaene-10,2'-oxolane]-15-carboxylic acid with MolForge

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Related Compounds

(4'S,10R)-19-cyclohexyl-4'-(dimethylamino)spiro[8-oxa-12-azatetracyclo[10.7.0.02,7.013,18]nonadeca-1(19),2,4,6,13(18),14,16-heptaene-10,2'-oxolane]-15-carboxylic acid
CID 46843091
(17S)-28-cyclohexyl-17-hydroxy-10,13-dimethyl-9,9-dioxo-19-oxa-9λ6-thia-1,8,10,13-tetrazapentacyclo[15.9.1.12,6.13,26.020,25]nonacosa-2,4,6(29),20(25),21,26(28)-hexaen-7-one
CID 70876840
23-cyclohexyl-16-azapentacyclo[14.7.0.02,7.08,14.017,22]tricosa-1(23),2,4,6,8(14),11,17(22),18,20-nonaene-19-carboxylic acid
CID 143574813
4-[bis[2-(1,4-oxazepan-4-yl)ethyl]amino]-13-cyclohexyl-6,7-dihydroindolo[1,2-d][1,4]benzoxazepine-10-carboxylic acid
CID 23152877
N-(benzenesulfonyl)-13-cyclohexyl-6-(morpholine-4-carbonyl)-4,5,6,7-tetrahydro-3H-indolo[2,1-a][2]benzazepine-10-carboxamide
CID 143523272
13-cyclohexyl-3-hydroxy-6,7-dihydro-5H-indolo[2,1-a][2]benzazepine-10-carboxylic acid
CID 11617733
19-cyclohexyl-1'-[3-(dimethylamino)propanoyl]spiro[8-oxa-12-azatetracyclo[10.7.0.02,7.013,18]nonadeca-1(19),2,4,6,13(18),14,16-heptaene-10,3'-azetidine]-15-carboxylic acid;ethane
CID 143574802
3-(3-chlorophenoxy)-13-cyclohexyl-6,7-dihydroindolo[1,2-d][1,4]benzoxazepine-10-carboxylic acid
CID 23152659
3-cyclohexyl-1-(2-morpholin-4-yl-2-oxoethyl)-2-thiophen-3-ylindole-6-carboxylic acid
CID 10026886
13-cyclohexyl-5-(2-piperidin-1-ylethyl)-6,7-dihydroindolo[1,2-d][1,4]benzodiazepine-10-carboxylic acid
CID 11994889
5-[2-(4-aminopiperidin-1-yl)ethyl]-13-cyclohexyl-6,7-dihydroindolo[1,2-d][1,4]benzodiazepine-10-carboxylic acid
CID 154546921
19-cyclohexyl-10-[3-(4-sulfamoylpiperazin-1-yl)propyl]-8-oxa-12-azatetracyclo[10.7.0.02,7.013,18]nonadeca-1(19),2,4,6,13(18),14,16-heptaene-15-carboxylic acid
CID 67344575

Frequently Asked Questions

What is the IUPAC name of 19-cyclohexyl-4'-(morpholin-4-ylmethyl)spiro[8-oxa-12-azatetracyclo[10.7.0.02,7.013,18]nonadeca-1(19),2(7),5,13(18),14,16-hexaene-10,2'-oxolane]-15-carboxylic acid?
The IUPAC name of 19-cyclohexyl-4'-(morpholin-4-ylmethyl)spiro[8-oxa-12-azatetracyclo[10.7.0.02,7.013,18]nonadeca-1(19),2(7),5,13(18),14,16-hexaene-10,2'-oxolane]-15-carboxylic acid (CID 70876865) is 19-cyclohexyl-4'-(morpholin-4-ylmethyl)spiro[8-oxa-12-azatetracyclo[10.7.0.02,7.013,18]nonadeca-1(19),2(7),5,13(18),14,16-hexaene-10,2'-oxolane]-15-carboxylic acid.
What is the SMILES notation for 19-cyclohexyl-4'-(morpholin-4-ylmethyl)spiro[8-oxa-12-azatetracyclo[10.7.0.02,7.013,18]nonadeca-1(19),2(7),5,13(18),14,16-hexaene-10,2'-oxolane]-15-carboxylic acid?
The canonical SMILES for 19-cyclohexyl-4'-(morpholin-4-ylmethyl)spiro[8-oxa-12-azatetracyclo[10.7.0.02,7.013,18]nonadeca-1(19),2(7),5,13(18),14,16-hexaene-10,2'-oxolane]-15-carboxylic acid is O=C(O)c1ccc2c(C3CCCCC3)c3n(c2c1)CC1(COC2=C3CCC=C2)CC(CN2CCOCC2)CO1.
What is the InChIKey of 19-cyclohexyl-4'-(morpholin-4-ylmethyl)spiro[8-oxa-12-azatetracyclo[10.7.0.02,7.013,18]nonadeca-1(19),2(7),5,13(18),14,16-hexaene-10,2'-oxolane]-15-carboxylic acid?
The InChIKey is ZJWFXEBQOHMTEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H40N2O5/c35-31(36)24-10-11-25-27(16-24)34-20-32(17-22(19-39-32)18-33-12-14-37-15-13-33)21-38-28-9-5-4-8-26(28)30(34)29(25)23-6-2-1-3-7-23/h5,9-11,16,22-23H,1-4,6-8,12-15,17-21H2,(H,35,36).
What are the key properties of 19-cyclohexyl-4'-(morpholin-4-ylmethyl)spiro[8-oxa-12-azatetracyclo[10.7.0.02,7.013,18]nonadeca-1(19),2(7),5,13(18),14,16-hexaene-10,2'-oxolane]-15-carboxylic acid?
19-cyclohexyl-4'-(morpholin-4-ylmethyl)spiro[8-oxa-12-azatetracyclo[10.7.0.02,7.013,18]nonadeca-1(19),2(7),5,13(18),14,16-hexaene-10,2'-oxolane]-15-carboxylic acid has a molecular weight of 532.68 g/mol, XLogP of 5.59, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 19-cyclohexyl-4'-(morpholin-4-ylmethyl)spiro[8-oxa-12-azatetracyclo[10.7.0.02,7.013,18]nonadeca-1(19),2(7),5,13(18),14,16-hexaene-10,2'-oxolane]-15-carboxylic acid is sourced from PubChem (CID 70876865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).